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CHEBI:206924 - Neo-actinomycin B

ChEBI IDCHEBI:206924
ChEBI NameNeo-actinomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H88N12O16
Net Charge0
Average Mass1281.476
Monoisotopic Mass1280.64412
SMILESCc1nc2c(C(=O)N[C@@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]3C)c3c(c(C)c2o1)Oc1c(C)ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c1N3
InChIInChI=1S/C64H88N12O16/c1-28(2)43-61(85)75-24-18-20-38(75)59(83)71(14)26-40(77)73(16)50(30(5)6)63(87)89-34(11)45(57(81)67-43)69-55(79)37-23-22-32(9)52-47(37)66-49-42(48-53(91-36(13)65-48)33(10)54(49)92-52)56(80)70-46-35(12)90-64(88)51(31(7)8)74(17)41(78)27-72(15)60(84)39-21-19-25-76(39)62(86)44(29(3)4)68-58(46)82/h22-23,28-31,34-35,38-39,43-46,50-51,66H,18-21,24-27H2,1-17H3,(H,67,81)(H,68,82)(H,69,79)(H,70,80)/t34-,35-,38+,39+,43-,44-,45+,46+,50+,51+/m1/s1
InChIKeyGIFBVANLYMEKLE-SYGXRZKBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28620204)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Neo-actinomycin B (CHEBI:206924) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2,9,11-trimethyl-4-N,6-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-5H-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide
Manual XrefsDatabases
63002474ChemSpider